Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LM18AT
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| Ligand Name |
methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate
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| Synonyms |
methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate; SBQ; CHEMBL2058195; SCHEMBL12476274; Methyl 3-[3-chloro-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]benzoate
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| Structure |
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Download2D MOL |
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| Formula |
C20H21ClO8
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| Canonical SMILES |
COC(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)Cl
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| InChI |
1S/C20H21ClO8/c1-27-19(26)12-4-2-3-10(7-12)11-5-6-14(13(21)8-11)28-20-18(25)17(24)16(23)15(9-22)29-20/h2-8,15-18,20,22-25H,9H2,1H3/t15-,16-,17+,18+,20+/m1/s1
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| InChIKey |
PDLRSZVVAYSCAH-JGLNRKDHSA-N
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| PubChem Compound ID | ||||
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